From Molecular Shape to Potent Bioactive Agents II; see Reference ‡ for Part I.
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Communication
From Molecular Shape to Potent Bioactive Agents II: Fragment-Based de novo Design†
Article first published online: 4 DEC 2008
DOI: 10.1002/cmdc.200800314
Copyright © 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Additional Information
How to Cite
Proschak, E., Sander, K., Zettl, H., Tanrikulu, Y., Rau, O., Schneider, P., Schubert-Zsilavecz, M., Stark, H. and Schneider, G. (2009), From Molecular Shape to Potent Bioactive Agents II: Fragment-Based de novo Design. ChemMedChem, 4: 45–48. doi: 10.1002/cmdc.200800314
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Publication History
- Issue published online: 5 JAN 2009
- Article first published online: 4 DEC 2008
- Manuscript Received: 25 SEP 2008
Funded by
- Beilstein-Institut zur Förderung der Chemischen Wissenschaften
- LOEWE Lipid Signaling Forschungszentrum Frankfurt
Keywords:
- bioisosters;
- de novo design;
- drug discovery;
- molecular modeling;
- scaffold hopping
Fragment-based drug design: Computer-assisted molecular design has emerged as a valuable tool for lead discovery. We present the successful de novo design, synthesis, and testing of a PPAR agonist using a novel fragment-based compound assembly strategy.